N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen

C10H17N3O2 — CID 162429371

IUPACN-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
SMILESCC(=O)N(C)c1cccc(NC(N)=O)c1.[H][H].[H][H]
InChIInChI=1S/C10H13N3O2.2H2/c1-7(14)13(2)9-5-3-4-8(6-9)12-10(11)15;;/h3-6H,1-2H3,(H3,11,12,15);2*1H
InChIKeyVGIQXIPOLOKRNW-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.65
Rot. Bonds2

About N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen

N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen (PubChem CID 162429371) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
PubChem CID162429371
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC NameN-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
SMILESCC(=O)N(C)c1cccc(NC(N)=O)c1.[H][H].[H][H]
InChIInChI=1S/C10H13N3O2.2H2/c1-7(14)13(2)9-5-3-4-8(6-9)12-10(11)15;;/h3-6H,1-2H3,(H3,11,12,15);2*1H
InChIKeyVGIQXIPOLOKRNW-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
CID 162429376
N-[3-[acetyl(methyl)amino]phenyl]-4-fluorobenzamide
CID 46761784
N-[3-[acetyl(methyl)amino]phenyl]-2-chlorobenzamide
CID 46761791
[3-(methylamino)phenyl]urea
CID 23558981
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 46761828
N-[3-[acetyl(methyl)amino]phenyl]-3,5-dinitrobenzamide
CID 46761797
N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
CID 46761865
N-[3-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 46761786

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen (CID 162429371) is N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen is CC(=O)N(C)c1cccc(NC(N)=O)c1.[H][H].[H][H].
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen?
The InChIKey is VGIQXIPOLOKRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.2H2/c1-7(14)13(2)9-5-3-4-8(6-9)12-10(11)15;;/h3-6H,1-2H3,(H3,11,12,15);2*1H.
What are the key properties of N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen?
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen has a molecular weight of 211.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen is sourced from PubChem (CID 162429371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).